Serine/threonine-protein kinase WNK3
Target ID: CHEMBL6055
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| SEMAXANIB | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | IC50: 700.0 nM |  |
| MLN-8054 | O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 | Activity: 39.7 % |  |
| SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM |  |
| MIDOSTAURIN | CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | Kd: 11.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 6.35 | 78 |  |
| [16*]c1ccccc1 | 7.15 | 78 |  |
| [14*]c1[nH]c(C)cc1C | 6.15 | 39 |  |
| O=C1Nc2ccccc2/C1=C/c1ccc[nH]1 | 6.15 | 39 |  |
| [7*]C1C(=O)Nc2ccccc21 | 6.15 | 39 |  |